CID 6004359

20432-36-4

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C=C/C=O

InChI

InChI=1S/C13H15NO/c1-14(2)13-9-7-12(8-10-13)6-4-3-5-11-15/h3-11H,1-2H3/b5-3+,6-4+

InChIKey

JYHAOJGBXVCDOC-GGWOSOGESA-N

Compound name

(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 295
Patents: 201.11537 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.12265	145.4
[M+Na]+	224.10459	152.4
[M-H]-	200.10809	150.2
[M+NH4]+	219.14919	165.2
[M+K]+	240.07853	149.6
[M+H-H2O]+	184.11263	138.9
[M+HCOO]-	246.11357	171.1
[M+CH3COO]-	260.12922	190.9
[M+Na-2H]-	222.09004	150.4
[M]+	201.11482	146.9
[M]-	201.11592	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe